3-tert-butyl-N-[2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxy-benzamide

Systemtic Name: 3-tert-butyl-N-[2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxy-benzamide Openeye Name: 3-tert-butyl-N-[2-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxy-benzamide CAS Name: 3-tert-butyl-N-[2-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]-2-tetradecoxybenzamide IUPAC Name: 3-tert-butyl-N-[2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-2-tetradecoxybenzamide Traditional Name: 3-tert-butyl-N-[2-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]-2-myristyloxy-benzamide Formula: C36H53N2O2S+ MolecularWeight: 577.88322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)C(=O)NC2=CC=CC=C2C[N+]3=C(SC=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)C(=O)NC2=CC=CC=C2C[N+]3=C(SC=C3)C

InChI

InChI=1S/C36H52N2O2S/c1-6-7-8-9-10-11-12-13-14-15-16-19-26-40-34-31(22-20-23-32(34)36(3,4)5)35(39)37-33-24-18-17-21-30(33)28-38-25-27-41-29(38)2/h17-18,20-25,27H,6-16,19,26,28H2,1-5H3/p+1